2,5-Dimethyl-3(2H)-furanone

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  • Identifiers

    CAS number
    14400-67-0

    Molecular formula
    C6H8O2

    SMILES
    CC1C(=O)C=C(O1)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1540.0

  • Odor profile

    Caramellic 88.49%
    Sweet 86.05%
    Fruity 74.5%
    Burnt 66.26%
    Roasted 66.19%
    Nutty 62.57%
    Buttery 54.72%
    Coffee 46.71%
    Coumarinic 41.67%
    Strawberry 35.8%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    6.75 (neutral)

    Molecular weight
    112.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    155°C

    Flash point est.
    47.79 ˚C

    Solubility expt.

    • Practically insoluble or insoluble
    • Soluble (in ethanol)

  • Synonyms

    • 2,5-Dimethyl-3(2H)-furanone
    • 14400-67-0
    • 2,5-Dimethylfuran-3(2H)-one
    • 3(2H)-Furanone, 2,5-dimethyl-
    • 2,5-dimethylfuran-3-one
    • 2,5-Dimethyl-2,3-dihydrofuran-3-one
    • mango furanone
    • FEMA 4101
    • 73O869QGB2
    • EINECS 238-365-5
    • 2,5-Dimethyl-3(2H)-furanone (natural)
    • 149310-61-2
    • FEMA NO. 4101
    • DTXSID40864502
    • 2H-Furan-3-one, 2,5-dimethyl
    • 2,5-DIMETHYL-3(2H)-FURANONE [FHFI]
    • (+/-)-2,5-DIMETHYL-3(2H)-FURANONE
    • 2,5-DIMETHYL-3(2H)-FURANONE, (+/-)-
    • UNII-73O869QGB2
    • 2,5-dimethyl-2H-furan-3-one
    • MFCD00052571
    • 2,5-dimethyluran-3-one
    • 2,5-dimethyl-furan-3-one
    • 2,5-Dimethyl-(2H)furanone
    • 2,5dimethyl-3(3h)-furanone
    • SCHEMBL1114753
    • 2,5-dimethyl-3(3h)-furanone
    • ASOSVCXGWPDUGN-UHFFFAOYSA-
    • DTXCID40813010
    • 2,5-dimethyl-3(2 H)-furanone
    • CHEBI:173375
    • s6298
    • AKOS006227610
    • CS-W011269
    • HY-W010553
    • SB60956
    • PD123999
    • TS-01561
    • 2,5-Dimethyl-3(2H)-furanone, AldrichCPR
    • DB-042712
    • D3795
    • NS00055438
    • D90227
    • EN300-332607
    • Q27266196
    • Z1201618283
    • InChI=1/C6H8O2/c1-4-3-6(7)5(2)8-4/h3,5H,1-2H3
    • 238-365-5

  • Applications

    Mango furanone, also known as Furaneol or 4-hydroxy-2,5-dimethyl-3-(2H)-furanone (CAS 14400-67-0), is an exceptionally potent fruity flavour molecule with ripe mango, strawberry, pineapple and honey-caramel nuances that finds broad application in flavour formulation for alcoholic and non-alcoholic beverages, juices, syrups, ice creams, yoghurts, candies, baked goods, breakfast cereals, jams, jellies, chocolates, instant coffee and tropical mixes, adds a warm sweet aftertaste to e-liquids, masks ethanol harshness in fine fragrances and toiletries, serves as an internal/external standard in GC-MS and LC-MS to monitor fruit ripening, authenticate natural flavour claims and elucidate Maillard-Strecker or caramelisation pathways, and acts as an intermediate for the synthesis of related aroma lactones; produced biotechnologically from glucose and amino acids, it meets FEMA GRAS, IFRA and EU flavour regulations, is compatible with “natural”, “clean label”, halal and kosher declarations, and is considered safe at trace use levels of 1–30 ppm in food, beverages and cosmetic products.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 596.14
    methanol 914.22
    isopropanol 435.42
    water 152.71
    ethyl acetate 337.79
    n-propanol 453.14
    acetone 532.91
    n-butanol 390.72
    acetonitrile 718.89
    DMF 744.74
    toluene 189.31
    isobutanol 342.32
    1,4-dioxane 671.15
    methyl acetate 380.96
    THF 649.92
    2-butanone 348.8
    n-pentanol 280.97
    sec-butanol 375.78
    n-hexane 56.89
    ethylene glycol 325.57
    NMP 671.8
    cyclohexane 62.89
    DMSO 603.95
    n-butyl acetate 104.52
    n-octanol 114.56
    chloroform 979.75
    n-propyl acetate 137.53
    acetic acid 713.37
    dichloromethane 1046.61
    cyclohexanone 363.18
    propylene glycol 230.89
    isopropyl acetate 173.56
    DMAc 609.13
    2-ethoxyethanol 551.61
    isopentanol 317.82
    n-heptane 26.68
    ethyl formate 254.31
    1,2-dichloroethane 503.66
    n-hexanol 174.79
    2-methoxyethanol 899.73
    isobutyl acetate 86.79
    tetrachloromethane 191.98
    n-pentyl acetate 96.48
    transcutol 890.5
    n-heptanol 87.82
    ethylbenzene 97.94
    MIBK 162.97
    2-propoxyethanol 369.78
    tert-butanol 459.3
    MTBE 306.24
    2-butoxyethanol 174.13
    propionic acid 376.14
    o-xylene 131.04
    formic acid 651.93
    diethyl ether 413.29
    m-xylene 136.35
    p-xylene 125.95
    chlorobenzene 245.71
    dimethyl carbonate 151.64
    n-octane 12.96
    formamide 726.4
    cyclopentanone 453.15
    2-pentanone 274.81
    anisole 241.69
    cyclopentyl methyl ether 334.46
    gamma-butyrolactone 592.69
    1-methoxy-2-propanol 536.67
    pyridine 414.98
    3-pentanone 226.46
    furfural 595.08
    n-dodecane 12.81
    diethylene glycol 413.38
    diisopropyl ether 105.07
    tert-amyl alcohol 382.66
    acetylacetone 325.85
    n-hexadecane 13.97
    acetophenone 182.65
    methyl propionate 283.27
    isopentyl acetate 99.38
    trichloroethylene 789.86
    n-nonanol 100.14
    cyclohexanol 303.09
    benzyl alcohol 216.17
    2-ethylhexanol 94.19
    isooctanol 72.59
    dipropyl ether 107.3
    1,2-dichlorobenzene 226.18
    ethyl lactate 105.75
    propylene carbonate 255.71
    n-methylformamide 530.01
    2-pentanol 262.7
    n-pentane 62.41
    1-propoxy-2-propanol 194.0
    1-methoxy-2-propyl acetate 151.77
    2-(2-methoxypropoxy) propanol 196.76
    mesitylene 83.88
    ε-caprolactone 338.39
    p-cymene 52.44
    epichlorohydrin 672.47
    1,1,1-trichloroethane 433.56
    2-aminoethanol 435.03
    morpholine-4-carbaldehyde 706.58
    sulfolane 535.88
    2,2,4-trimethylpentane 31.68
    2-methyltetrahydrofuran 545.45
    n-hexyl acetate 167.14
    isooctane 19.66
    2-(2-butoxyethoxy)ethanol 274.7
    sec-butyl acetate 105.99
    tert-butyl acetate 179.24
    decalin 36.0
    glycerin 386.01
    diglyme 452.66
    acrylic acid 379.55
    isopropyl myristate 72.5
    n-butyric acid 352.44
    acetyl acetate 237.98
    di(2-ethylhexyl) phthalate 71.98
    ethyl propionate 156.16
    nitromethane 986.42
    1,2-diethoxyethane 209.34
    benzonitrile 248.57
    trioctyl phosphate 49.33
    1-bromopropane 319.57
    gamma-valerolactone 615.04
    n-decanol 72.63
    triethyl phosphate 74.42
    4-methyl-2-pentanol 134.29
    propionitrile 370.07
    vinylene carbonate 280.02
    1,1,2-trichlorotrifluoroethane 448.75
    DMS 162.02
    cumene 74.62
    2-octanol 68.1
    2-hexanone 157.47
    octyl acetate 87.38
    limonene 74.76
    1,2-dimethoxyethane 574.08
    ethyl orthosilicate 74.2
    tributyl phosphate 66.25
    diacetone alcohol 228.77
    N,N-dimethylaniline 158.12
    acrylonitrile 442.16
    aniline 263.6
    1,3-propanediol 501.14
    bromobenzene 237.39
    dibromomethane 643.51
    1,1,2,2-tetrachloroethane 526.03
    2-methyl-cyclohexyl acetate 97.63
    tetrabutyl urea 87.29
    diisobutyl methanol 58.53
    2-phenylethanol 144.74
    styrene 125.05
    dioctyl adipate 101.81
    dimethyl sulfate 237.37
    ethyl butyrate 103.79
    methyl lactate 180.66
    butyl lactate 82.37
    diethyl carbonate 84.5
    propanediol butyl ether 172.8
    triethyl orthoformate 85.27
    p-tert-butyltoluene 50.51
    methyl 4-tert-butylbenzoate 154.4
    morpholine 701.06
    tert-butylamine 293.7
    n-dodecanol 55.42
    dimethoxymethane 488.55
    ethylene carbonate 220.2
    cyrene 200.16
    2-ethoxyethyl acetate 165.4
    2-ethylhexyl acetate 79.02
    1,2,4-trichlorobenzene 265.3
    4-methylpyridine 420.36
    dibutyl ether 113.65
    2,6-dimethyl-4-heptanol 58.53
    DEF 333.35
    dimethyl isosorbide 292.11
    tetrachloroethylene 379.2
    eugenol 160.87
    triacetin 182.7
    span 80 141.77
    1,4-butanediol 243.54
    1,1-dichloroethane 542.68
    2-methyl-1-pentanol 251.25
    methyl formate 409.47
    2-methyl-1-butanol 325.61
    n-decane 20.28
    butyronitrile 331.68
    3,7-dimethyl-1-octanol 108.82
    1-chlorooctane 72.08
    1-chlorotetradecane 31.7
    n-nonane 19.73
    undecane 15.59
    tert-butylcyclohexane 34.25
    cyclooctane 22.37
    cyclopentanol 353.11
    tetrahydropyran 435.08
    tert-amyl methyl ether 251.26
    2,5,8-trioxanonane 338.88
    1-hexene 132.96
    2-isopropoxyethanol 331.81
    2,2,2-trifluoroethanol 352.78
    methyl butyrate 184.45

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 1.09%